| SpectraBase Compound ID | JPgxnq0DpAo |
|---|---|
| InChI | InChI=1S/C21H20O10.C2HF3O2/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;3-2(4,5)1(6)7/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);(H,6,7)/t16-,17-,18+,19-,21-;/m1./s1 |
| InChIKey | DKAQTXRHDAJKFV-UBNZBFALSA-N |
| Mol Weight | 546.4 g/mol |
| Molecular Formula | C23H21F3O12 |
| Exact Mass | 546.098511 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 16RAXQ2mcEO |
|---|---|
| Name | PELARGONIDIN-3-O-BETA-GLUCOPYRANOSIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C23H21F3O12 |
| InChI | InChI=1S/C21H20O10.C2HF3O2/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;3-2(4,5)1(6)7/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);(H,6,7)/t16-,17-,18+,19-,21-;/m1./s1 |
| InChIKey | DKAQTXRHDAJKFV-UBNZBFALSA-N |
| Literature Reference Author | A.T.PEDERSEN,O.M.ANDERSEN,D.W.AKSNES,W.NERDAL |
| Literature Reference Citation | MAGN.RES.CHEM.,31,972(1993) |
| Literature Reference DOI | 10.1002/mrc.1260311104 |
| Molecular Weight | 546.408 g/mol |
| Solvent | ACIFIED-CD3OD |
| Source File Reference | UWVP342 |